UCSF

ZINC22043019

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 13 Yes

Popular Name: 1,2-Pentanediamine, 2-phenyl-; 2-Phenyl-1,2-pentanediamine; BRN 2832099; LS-101612; Phenyl-2 pentanediamine-1,2 1,2-Pentanediamine, 2-phenyl-; 2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.62 2.46 -38.06 5 2 1 54 179.287 4 ↓
Hi High (pH 8-9.5) 1.62 1.96 -1.63 4 2 0 52 178.279 4 ↓
Mid Mid (pH 6-8) 1.62 2.75 -127.96 6 2 2 55 180.295 4 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )